CID 139597188

2-(2-butylanilino)ethanol

Structural Information

Molecular Formula
C12H19NO
SMILES
CCCCC1=CC=CC=C1NCCO
InChI
InChI=1S/C12H19NO/c1-2-3-6-11-7-4-5-8-12(11)13-9-10-14/h4-5,7-8,13-14H,2-3,6,9-10H2,1H3
InChIKey
SYHWTJYAXFSDBV-UHFFFAOYSA-N
Compound name
2-(2-butylanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.1
[M+Na]+ 216.135888 150.8
[M-H]- 192.139394 146.9
[M+NH4]+ 211.180493 163.8
[M+K]+ 232.109828 147.7
[M+H-H2O]+ 176.143930 138.8
[M+HCOO]- 238.144871 168.4
[M+CH3COO]- 252.160521 185.8
[M+Na-2H]- 214.121336 150.7
[M]+ 193.14612142 145.2
[M]- 193.14721858 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.